SCHEMBL5238770

SCHEMBL5238770

COc1cc(-c2ccc(N3CCCN(c4ccc(-c5cc(OC)c(Cl)c(OC)c5)cn4)CC3)nc2)cc(OC)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.50
MAP4K1 Q92918 3/20 0.47
IL2 P60568 2/20 0.47
CNR2 P34972 7/20 0.47
CNR1 P21554 1/20 0.47
ZAP70 P43403 2/20 0.45
TLR9 Q9NR96 3/20 0.44
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 3/20 0.44
FYN P06241 1/20 0.43
PDE10A Q9Y233 1/20 0.43
RET P07949 1/20 0.42
KDM4E B2RXH2 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5624157 0.92 ERN1 (0.49) ERN1MAP4K1IL2CNR2CNR1
SCHEMBL5235053 0.88 ZAP70 (0.56) ERN1MAP4K1IL2CNR2ZAP70
SCHEMBL5233401 0.88 ERN1 (0.51) ERN1MAP4K1IL2CNR2ZAP70
SCHEMBL5625948 0.86 ERN1 (0.61) ERN1MAP4K1IL2CNR2ZAP70
SCHEMBL5238246 0.86 ERN1 (0.50) ERN1MAP4K1IL2CNR2ZAP70
SCHEMBL5238872 0.86 ZAP70 (0.50) ERN1MAP4K1IL2CNR2ZAP70
SCHEMBL14573470 0.86 ERN1 (0.50) ERN1MAP4K1IL2CNR2ZAP70
SCHEMBL5231722 0.86 MAP4K1 (0.57) ERN1MAP4K1IL2CNR2ZAP70
SCHEMBL5231326 0.85 ERN1 (0.49) ERN1MAP4K1IL2CNR2ZAP70
Hydrochloric Acid SCHEMBL5234895 0.85 ERN1 (0.49) ERN1MAP4K1IL2CNR2ZAP70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 EP disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 US disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 WO disclosed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 ERN1 3408/4885MAP4K1 1039/4885IL2 2003/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.